2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile

C15H25N3 — CID 61441141

IUPAC2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H25N3/c16-12-13-4-2-1-3-5-15(13)18-10-8-17(9-11-18)14-6-7-14/h13-15H,1-11H2
InChIKeyNKOYUGBTANIEKV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile

2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile (PubChem CID 61441141) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
PubChem CID61441141
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H25N3/c16-12-13-4-2-1-3-5-15(13)18-10-8-17(9-11-18)14-6-7-14/h13-15H,1-11H2
InChIKeyNKOYUGBTANIEKV-UHFFFAOYSA-N
XLogP2.24
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile (CID 61441141) is 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile is N#CC1CCCCCC1N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile?
The InChIKey is NKOYUGBTANIEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c16-12-13-4-2-1-3-5-15(13)18-10-8-17(9-11-18)14-6-7-14/h13-15H,1-11H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile?
2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile has a molecular weight of 247.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 61441141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).